SCHEMBL8917276

SCHEMBL8917276

O=C1Cc2sc(C(=O)CCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2CN1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.58
DRD2 P14416 4/20 0.58
HTR2A P28223 3/20 0.58
HTR1A P08908 2/20 0.58
HRH1 P35367 2/20 0.58
DRD3 P35462 2/20 0.58
HTR6 P50406 2/20 0.58
KCNH2 Q12809 2/20 0.58
ADRA1A P35348 1/20 0.58
DRD1 P21728 1/20 0.55
ACHE P22303 2/20 0.52
SLC6A4 P31645 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8917771 0.94 DRD2 (0.58) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8918221 0.91 ACHE (0.50) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8917083 0.85 ACHE (0.50) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8916604 0.85 HTR6 (0.64) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8916867 0.84 DRD2 (0.61) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8917216 0.83 DRD2 (0.57) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8991832 0.83 DRD2 (0.58) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8917156 0.83 DRD2 (0.58) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8917663 0.82 MCHR1 (0.62) HTR2CDRD2HTR2AHTR1AHRH1
SCHEMBL8918296 0.82 MCHR1 (0.62) HTR2CDRD2HTR2AHTR1AHRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed